(6R,9R)-6-methyl-3-nitro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol

C11H14N2O3 — CID 143877101

IUPAC(6R,9R)-6-methyl-3-nitro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
SMILESC[C@@H]1CC[C@@H](O)c2ncc([N+](=O)[O-])cc2C1
InChIInChI=1S/C11H14N2O3/c1-7-2-3-10(14)11-8(4-7)5-9(6-12-11)13(15)16/h5-7,10,14H,2-4H2,1H3/t7-,10-/m1/s1
InChIKeyOUTSXJBZYRKTCI-GMSGAONNSA-N
MW222.24 g/mol
LogP2.00
Rot. Bonds1

About (6R,9R)-6-methyl-3-nitro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol

(6R,9R)-6-methyl-3-nitro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol (PubChem CID 143877101) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (6R,9R)-6-methyl-3-nitro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol.

Molecular Properties

Compound Name(6R,9R)-6-methyl-3-nitro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
PubChem CID143877101
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(6R,9R)-6-methyl-3-nitro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
SMILESC[C@@H]1CC[C@@H](O)c2ncc([N+](=O)[O-])cc2C1
InChIInChI=1S/C11H14N2O3/c1-7-2-3-10(14)11-8(4-7)5-9(6-12-11)13(15)16/h5-7,10,14H,2-4H2,1H3/t7-,10-/m1/s1
InChIKeyOUTSXJBZYRKTCI-GMSGAONNSA-N
XLogP2.00
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methyl-3-nitro-5,6,7,8-tetrahydroquinoline
CID 15462861
5-nitro-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 14297058
1-(3-methyl-5-nitro-2-pyridinyl)piperidin-4-ol
CID 62477755
1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidine-3,4-diol
CID 106673378
(6-hydroxy-3-nitro-5,6,7,8-tetrahydroquinolin-7-yl) carbamate
CID 90908740
N-[(3-methylcyclopentyl)methyl]-5-nitropyrimidin-2-amine
CID 107414046
N-[(4-methylcyclohexyl)methyl]-5-nitropyrimidin-2-amine
CID 63243364
2-amino-N-methyl-N-[(4-methylcyclohexyl)methyl]-5-nitropyridine-3-carboxamide
CID 86790471
1-(3,5-dimethylpiperidin-1-yl)-2-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 136521468
(2-methyl-5-nitro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 47127870
3-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyridin-2-amine
CID 83026346
N'-hydroxy-2-(4-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide
CID 76934954

Frequently Asked Questions

What is the IUPAC name of (6R,9R)-6-methyl-3-nitro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
The IUPAC name of (6R,9R)-6-methyl-3-nitro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol (CID 143877101) is (6R,9R)-6-methyl-3-nitro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol.
What is the SMILES notation for (6R,9R)-6-methyl-3-nitro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
The canonical SMILES for (6R,9R)-6-methyl-3-nitro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol is C[C@@H]1CC[C@@H](O)c2ncc([N+](=O)[O-])cc2C1.
What is the InChIKey of (6R,9R)-6-methyl-3-nitro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
The InChIKey is OUTSXJBZYRKTCI-GMSGAONNSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-2-3-10(14)11-8(4-7)5-9(6-12-11)13(15)16/h5-7,10,14H,2-4H2,1H3/t7-,10-/m1/s1.
What are the key properties of (6R,9R)-6-methyl-3-nitro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
(6R,9R)-6-methyl-3-nitro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol has a molecular weight of 222.24 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,9R)-6-methyl-3-nitro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol is sourced from PubChem (CID 143877101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).